cyclopropyl(pyridin-3-yl)methanamine

• ChemBase ID: 244268
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C1(CC1)C(c1cnccc1)N
• Canonical SMILES: NC(c1cccnc1)C1CC1
• InChI: InChI=1S/C9H12N2/c10-9(7-3-4-7)8-2-1-5-11-6-8/h1-2,5-7,9H,3-4,10H2
• InChIKey: FSWNPAICGSWQJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(pyridin-3-yl)methanamine
• IUPAC Traditional name: cyclopropyl(pyridin-3-yl)methanamine
• Synonyms: cyclopropyl(pyridin-3-yl)methanamine

Database IDs

• CAS Number: 535925-69-0
• MDL Number: MFCD05191947
• PubChem SID: 164300178
• PubChem CID: 5153349

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.267645
• LogD (pH = 7.4): -1.3233203
• Log P: 0.7216862
• Molar Refractivity: 43.9867 cm^3
• Polarizability: 17.60327 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.35

Product Information

• Purity: 95%; 98%